Information card for entry 4323382

Structure parameters

• Chemical name: not assigned
• Formula: C36 H84 B6 N6 P6 Si2
• Calculated formula: C36 H84 B6 N6 P6 Si2
• SMILES: [Si]12([Si]3(P4B(P1B4N(C(C)C)C(C)C)N(C(C)C)C(C)C)P1B(P3B1N(C(C)C)C(C)C)N(C(C)C)C(C)C)P1[B]3(P2[B]13N(C(C)C)C(C)C)N(C(C)C)C(C)C
• Title of publication: Assembly of a Triple-Cage Species Containing B, P, and Si Atoms
• Authors of publication: Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; H. Nöth
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 1534 - 1535
• a: 18.339 ± 0.004 Å
• b: 12.162 ± 0.002 Å
• c: 26.585 ± 0.005 Å
• α: 90°
• β: 106.49 ± 0.03°
• γ: 90°
• Cell volume: 5686 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1634
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.0481
• Goodness-of-fit parameter for all reflections: 0.961
• Goodness-of-fit parameter for significantly intense reflections: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No